4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid

C22H19N3O4 — CID 169469212

IUPAC4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(NCC=Cc1cn[nH]c1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H19N3O4/c26-21(27)20-14(12-24-25-20)6-5-11-23-22(28)29-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-10,12,19H,11,13H2,(H,23,28)(H,24,25)(H,26,27)
InChIKeyKHVFCZOHQYQMDO-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.66
Rot. Bonds6

About 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid

4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 169469212) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid
PubChem CID169469212
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(NCC=Cc1cn[nH]c1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H19N3O4/c26-21(27)20-14(12-24-25-20)6-5-11-23-22(28)29-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-10,12,19H,11,13H2,(H,23,28)(H,24,25)(H,26,27)
InChIKeyKHVFCZOHQYQMDO-UHFFFAOYSA-N
XLogP3.66
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-enyl]carbamate
CID 169469492
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid
CID 169469960
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-pyridinyl)prop-2-enyl]carbamate
CID 169468973
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid
CID 169469902
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3-hydroxybenzoic acid
CID 169469890
4-chloro-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169469792
9H-fluoren-9-ylmethyl N-[3-(3-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469026
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2,4-dihydroxybenzoic acid
CID 169470064
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-5-fluorobenzoic acid
CID 169469811
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469280

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid (CID 169469212) is 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid is O=C(NCC=Cc1cn[nH]c1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is KHVFCZOHQYQMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-21(27)20-14(12-24-25-20)6-5-11-23-22(28)29-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-10,12,19H,11,13H2,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid?
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 389.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 169469212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).